Dataset

heteronuclear multiple bond coherence (HMBC)

dataset for heteronuclear multiple bond coherence (HMBC)

Chemical Information

molecular Image
InChI InChI=1S/C8H8N2/c1-6-9-7-4-2-3-5-8(7)10-6/h2-5H,1H3,(H,9,10)
SMILES Cc1nc2c([nH]1)cccc2
InChI Key LDZYRENCLPUXAX-UHFFFAOYSA-N
Molecular Formula C8H8N2
Exact Mass 132.163 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/LDZYRENCLPUXAX-UHFFFAOYSA-N/CHMO0000601
License URL
Source https://www.chemotion-repository.net/inchikey/LDZYRENCLPUXAX-UHFFFAOYSA-N/CHMO0000601
Version
Author Simone Gräßle
Maintainer Chemotion Repository
Language english
MetadataPublished 2024-12-09
Related Molecule
  • 2-methyl-1H-benzimidazole
    • Field Value
    Measurement Technique heteronuclear multiple bond coherence
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEBI:194887 chebi
    8P7 rcsb_pdb
    CHEMBL309135 chembl
    111276 surechembl
    29391888 surechembl
    11984 pubchem
    KOWYEA CCDC
    ZH8IWW7Y8B fdasrs
    HMDB0245225 hmdb
    50028827 bindingdb
    50987746 bindingdb
    51030916 bindingdb
    51030937 bindingdb
    Molport-000-146-010 molport
    The data in this table is sourced from UniChem at EBI.